Kirtman B - Search Results

1

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities.

Bulik IW, Zaleśny R, Bartkowiak W, Luis JM, Kirtman B, Scuseria GE, Avramopoulos A, Reis H, Papadopoulos MG. Bulik IW, et al. Among authors: kirtman b. J Comput Chem. 2013 Jul 30;34(20):1775-84. doi: 10.1002/jcc.23316. Epub 2013 May 16. J Comput Chem. 2013. PMID: 23677638

2

Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules.

Torrent-Sucarrat M, Solà M, Duran M, Luis JM, Kirtman B. Torrent-Sucarrat M, et al. Among authors: kirtman b. J Chem Phys. 2004 Apr 8;120(14):6346-55. doi: 10.1063/1.1667465. J Chem Phys. 2004. PMID: 15267523

3

A different approach for calculating Franck-Condon factors including anharmonicity.

Luis JM, Bishop DM, Kirtman B. Luis JM, et al. Among authors: kirtman b. J Chem Phys. 2004 Jan 8;120(2):813-22. doi: 10.1063/1.1630566. J Chem Phys. 2004. PMID: 15267917

4

Calculation of Franck-Condon factors including anharmonicity: simulation of the C2H4+X2B3u<--C2H4X1A(g) band in the photoelectron spectrum of ethylene.

Luis JM, Torrent-Sucarrat M, Solà M, Bishop DM, Kirtman B. Luis JM, et al. Among authors: kirtman b. J Chem Phys. 2005 May 8;122(18):184104. doi: 10.1063/1.1896362. J Chem Phys. 2005. PMID: 15918691

5

Variational calculation of vibrational linear and nonlinear optical properties.

Torrent-Sucarrat M, Luis JM, Kirtman B. Torrent-Sucarrat M, et al. Among authors: kirtman b. J Chem Phys. 2005 May 22;122(20):204108. doi: 10.1063/1.1909031. J Chem Phys. 2005. PMID: 15945714

6

Simulation of photoelectron spectra with anharmonicity fully included: Application to the X 2A2<--X 1A1 band of furan.

Bonness S, Kirtman B, Huix M, Sanchez AJ, Luis JM. Bonness S, et al. Among authors: kirtman b. J Chem Phys. 2006 Jul 7;125(1):014311. doi: 10.1063/1.2210479. J Chem Phys. 2006. PMID: 16863302

7

A variational approach for calculating Franck-Condon factors including mode-mode anharmonic coupling.

Luis JM, Kirtman B, Christiansen O. Luis JM, et al. Among authors: kirtman b. J Chem Phys. 2006 Oct 21;125(15):154114. doi: 10.1063/1.2360944. J Chem Phys. 2006. PMID: 17059246

8

Variational calculation of static and dynamic vibrational nonlinear optical properties.

Luis JM, Torrent-Sucarrat M, Christiansen O, Kirtman B. Luis JM, et al. Among authors: kirtman b. J Chem Phys. 2007 Aug 28;127(8):084118. doi: 10.1063/1.2770709. J Chem Phys. 2007. PMID: 17764240

9

Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing.

Kirtman B, Luis JM. Kirtman B, et al. J Chem Phys. 2008 Mar 21;128(11):114101. doi: 10.1063/1.2889950. J Chem Phys. 2008. PMID: 18361548 Free article.

10

Linear and nonlinear optical properties of [60]fullerene derivatives.

Loboda O, Zaleśny R, Avramopoulos A, Luis JM, Kirtman B, Tagmatarchis N, Reis H, Papadopoulos MG. Loboda O, et al. Among authors: kirtman b. J Phys Chem A. 2009 Feb 12;113(6):1159-70. doi: 10.1021/jp808234x. Epub 2009 Jan 15. J Phys Chem A. 2009. PMID: 19146443

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